Structure Database (LMSD)

Common Name
Sphingofungin B
Systematic Name
2S-amino-3R,4R,5S,14R-tetrahydroxyeicos-6E-enoic acid
Synonyms
LM ID
LMSP01080062
Formula
C20H39NO6
Exact Mass
Calculate m/z
389.277739
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aspergillus fumigatus (#746128)
Eurotiomycetes (#147545)
Sphingofungins A, B, C, and D; a new family of antifungal agents. I. Fermentation, isolation, and biological activity.,
J Antibiot (Tokyo), 1992
Pubmed ID: 1500351

String Representations

InChiKey (Click to copy)
UAPFYKYEEDCCTL-MXSQXUFFSA-N
InChi (Click to copy)
InChI=1S/C20H39NO6/c1-2-3-4-9-12-15(22)13-10-7-5-6-8-11-14-16(23)18(24)19(25)17(21)20(26)27/h11,14-19,22-25H,2-10,12-13,21H2,1H3,(H,26,27)/b14-11+/t15-,16+,17+,18-,19-/m1/s1
SMILES (Click to copy)
C([C@@H](N)[C@@H](O)[C@H](O)[C@@H](O)/C=C/CCCCCC[C@H](O)CCCCCC)(=O)O

Other Databases

CHEBI ID
185613
PubChem CID
6439077

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 413.02
Topological Polar Surface Area 144.24
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 6
logP 3.14
Molar Refractivity 107.80

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Updated at
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